SCHEMBL798469

SCHEMBL798469

CC(C)c1nc2c(s1)CN(C(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAD52 P43351 1/20 0.36
RECQL P46063 1/20 0.36
GRM5 P41594 5/20 0.36
CHKA P35790 1/20 0.34
OGA O60502 2/20 0.34
F10 P00742 8/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
APEX1 P27695 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17342859 0.84 KDM4E (0.33) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL1106412 0.81 GRM5 (0.48) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13494250 0.81 PDE10A (0.42) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL742822 0.81 MEN1 (0.40) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL17934004 0.80 RAD52 (0.58) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL19454154 0.80 KDM4E (0.39) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL2698658 0.78 KDM4E (0.38) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL13494247 0.78 RAD52 (0.63) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL21146030 0.78 MEN1 (0.38) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL16624091 0.78 MAPT (0.38) KDM4EMEN1ALDH1A1GAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KDM4E 2191/4885MEN1 2694/4885ALDH1A1 3750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.